2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H20O10 — CID 75491471

About 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 75491471) has the molecular formula C26H20O10 and a molecular weight of 492.44 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 75491471
• Molecular Formula: C26H20O10
• Molecular Weight: 492.44 g/mol
• Exact Mass: 492.11
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1cc(OC)cc(C2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1
• InChI: InChI=1S/C26H20O10/c1-33-13-5-12(6-14(8-13)34-2)15-9-20(30)35-19-10-18(29)22-23(31)24(32)25(36-26(22)21(15)19)11-3-4-16(27)17(28)7-11/h3-8,10,15,27-29,32H,9H2,1-2H3
• InChIKey: HRBDIDBBODMHEW-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 155.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.44
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 75491471) is 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1cc(OC)cc(C2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1.

What is the InChIKey of 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is HRBDIDBBODMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O10/c1-33-13-5-12(6-14(8-13)34-2)15-9-20(30)35-19-10-18(29)22-23(31)24(32)25(36-26(22)21(15)19)11-3-4-16(27)17(28)7-11/h3-8,10,15,27-29,32H,9H2,1-2H3.

What are the key properties of 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 492.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-10-(3,5-dimethoxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 75491471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).